CID 42442

2-methyl-2h-1-benzopyran-3-carbonitrile

Structural Information

Molecular Formula
C11H9NO
SMILES
CC1C(=CC2=CC=CC=C2O1)C#N
InChI
InChI=1S/C11H9NO/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-6,8H,1H3
InChIKey
SFTWTNJNZKFQLN-UHFFFAOYSA-N
Compound name
2-methyl-2H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 138.5
[M+Na]+ 194.05764 152.7
[M+NH4]+ 189.10224 144.9
[M+K]+ 210.03158 142.2
[M-H]- 170.06114 135.8
[M+Na-2H]- 192.04309 142.9
[M]+ 171.06787 139.1
[M]- 171.06897 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.